ChemSpider 2D Image | (2E)-3-{3-Bromo-4-[(3-methyl-2-buten-1-yl)oxy]phenyl}acrylic acid | C14H15BrO3

(2E)-3-{3-Bromo-4-[(3-methyl-2-buten-1-yl)oxy]phenyl}acrylic acid

  • Molecular FormulaC14H15BrO3
  • Average mass311.171 Da
  • Monoisotopic mass310.020447 Da
  • ChemSpider ID26380826

  • Double-bond stereo - Double-bond stereo

More details:

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

(2E)-3-{3-Brom-4-[(3-methyl-2-buten-1-yl)oxy]phenyl}acrylsäure [German] [ACD/IUPAC Name]
(2E)-3-{3-Bromo-4-[(3-methyl-2-buten-1-yl)oxy]phenyl}acrylic acid [ACD/IUPAC Name]
2-Propenoic acid, 3-[3-bromo-4-[(3-methyl-2-buten-1-yl)oxy]phenyl]-, (2E)- [ACD/Index Name]
Acide (2E)-3-{3-bromo-4-[(3-méthyl-2-butén-1-yl)oxy]phényl}acrylique [French] [ACD/IUPAC Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.4±0.1 g/cm3
Boiling Point: 443.0±40.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 73.8±3.0 kJ/mol
Flash Point: 221.7±27.3 °C
Index of Refraction: 1.597
Molar Refractivity: 76.5±0.3 cm3
#H bond acceptors: 3
#H bond donors: 1
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 4.87
ACD/LogD (pH 5.5): 2.88
ACD/BCF (pH 5.5): 48.79
ACD/KOC (pH 5.5): 269.28
ACD/LogD (pH 7.4): 1.08
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 4.29
Polar Surface Area: 47 Å2
Polarizability: 30.3±0.5 10-24cm3
Surface Tension: 45.0±3.0 dyne/cm
Molar Volume: 224.7±3.0 cm3

Click to predict properties on the Chemicalize site


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